Basic information
- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)n(CCN=[N+]=[N-])c1- InChIKey
UOSTWBRROKKWNI-UHFFFAOYSA-N- Molecular formula
- C12H16N4O4
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.117155
Names & identifiers
- Preferred name
- diethyl 1-(2-azidoethyl)-1H-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 1-(2-azidoethyl)pyrrole-2,4-dicarboxylate
Names & synonyms
SCHEMBL16433899UOSTWBRROKKWNI-UHFFFAOYSA-Ndiethyl 1-(2-azidoethyl)-1H-pyrrole-2,4-dicarboxylate
Database identifiers
- PubChem CID
- 57517455
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Related reactions
2 records
Compound notes
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